Spektraris NMR
Ochrocarpinone B
Common Name: Ochrocarpinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O5/c1-20(2)14-15-23-19-32(17-16-21(3)4)27(35)24-18-25(31(7,8)37)38-28(24)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3
InChIKey: InChIKey=ZWTGJCOSOVVWJL-UHFFFAOYSA-N
Formula: C33H42O5
Molecular Weight: 518.684821
Exact Mass: 518.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S., Schilling, J.K., Kingston, D.G. J Nat Prod (2002) 65, 965-72
Species:
Notes: Family : Aromatics, Type : Benzophenones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 69.4 |
| 2 (C) | 172.4 |
| 3 (C) | 115.6 |
| 4 (C) | 193.3 |
| 5 (C) | 60.3 |
| 6 (C) | 205.1 |
| 1' (C) | 136.9 |
| 2' (CH) | 128.4 |
| 3' (CH) | 128.2 |
| 4' (CH) | 132.2 |
| 5' (CH) | 128.2 |
| 6' (CH) | 128.4 |
| 7' (C) | 193.7 |
| 1'' (CH2) | 39.3 |
| 2'' (CH) | 42.8 |
| 3'' (C) | 48.2 |
| 4'' (CH3) | 23.2 |
| 5'' (CH3) | 16.5 |
| 1''' (CH2) | 26 |
| 2''' (CH) | 90.3 |
| 3''' (C) | 71.2 |
| 4''' (CH3) | 23.9 |
| 5''' (CH3) | 26.8 |
| 1'''' (CH2) | 30.4 |
| 2'''' (CH) | 120.7 |
| 3'''' (C) | 133.7 |
| 4'''' (CH3) | 17.9 |
| 5'''' (CH3) | 25.9 |
| 1''''' (CH2) | 26.9 |
| 2''''' (CH) | 122.4 |
| 3''''' (C) | 137.9 |
| 4''''' (CH3) | 18.2 |
| 5''''' (CH3) | 25.8 |
